(1-cyclopropyl-3-methylbutyl)-diethoxysilane

C12H26O2Si — CID 123461321

IUPAC(1-cyclopropyl-3-methylbutyl)-diethoxysilane
SMILESCCO[SiH](OCC)C(CC(C)C)C1CC1
InChIInChI=1S/C12H26O2Si/c1-5-13-15(14-6-2)12(9-10(3)4)11-7-8-11/h10-12,15H,5-9H2,1-4H3
InChIKeyHSNSXGXYFMKDOA-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.11
Rot. Bonds8

About (1-cyclopropyl-3-methylbutyl)-diethoxysilane

(1-cyclopropyl-3-methylbutyl)-diethoxysilane (PubChem CID 123461321) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (1-cyclopropyl-3-methylbutyl)-diethoxysilane.

Molecular Properties

Compound Name(1-cyclopropyl-3-methylbutyl)-diethoxysilane
PubChem CID123461321
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(1-cyclopropyl-3-methylbutyl)-diethoxysilane
SMILESCCO[SiH](OCC)C(CC(C)C)C1CC1
InChIInChI=1S/C12H26O2Si/c1-5-13-15(14-6-2)12(9-10(3)4)11-7-8-11/h10-12,15H,5-9H2,1-4H3
InChIKeyHSNSXGXYFMKDOA-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-3-methylbutyl)-diethoxysilane?
The IUPAC name of (1-cyclopropyl-3-methylbutyl)-diethoxysilane (CID 123461321) is (1-cyclopropyl-3-methylbutyl)-diethoxysilane.
What is the SMILES notation for (1-cyclopropyl-3-methylbutyl)-diethoxysilane?
The canonical SMILES for (1-cyclopropyl-3-methylbutyl)-diethoxysilane is CCO[SiH](OCC)C(CC(C)C)C1CC1.
What is the InChIKey of (1-cyclopropyl-3-methylbutyl)-diethoxysilane?
The InChIKey is HSNSXGXYFMKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-5-13-15(14-6-2)12(9-10(3)4)11-7-8-11/h10-12,15H,5-9H2,1-4H3.
What are the key properties of (1-cyclopropyl-3-methylbutyl)-diethoxysilane?
(1-cyclopropyl-3-methylbutyl)-diethoxysilane has a molecular weight of 230.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-3-methylbutyl)-diethoxysilane is sourced from PubChem (CID 123461321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).